3,4,6-tris(chloranyl)-5-(4-methylphenyl)carbonylsulfanyl-phthalic acid

Systemtic Name: 3,4,6-tris(chloranyl)-5-(4-methylphenyl)carbonylsulfanyl-phthalic acid Openeye Name: 3,4,6-trichloro-5-(4-methylbenzoyl)sulfanyl-phthalic acid CAS Name: 3,4,6-trichloro-5-[[(4-methylphenyl)-oxomethyl]thio]phthalic acid IUPAC Name: 3,4,6-trichloro-5-(4-methylbenzoyl)sulfanylphthalic acid Traditional Name: 3,4,6-trichloro-5-(p-toluoylthio)phthalic acid Formula: C16H9Cl3O5S MolecularWeight: 419.66366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=C(C(=C(C(=C2Cl)Cl)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(C(=C(C(=C2Cl)Cl)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C16H9Cl3O5S/c1-6-2-4-7(5-3-6)16(24)25-13-11(18)9(15(22)23)8(14(20)21)10(17)12(13)19/h2-5H,1H3,(H,20,21)(H,22,23)